General Information of the Compound
| Compound ID |
CP0875696
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| Compound Name |
4-(benzofuran-2-carbonyl)-5-(2-fluorophenyl)-3-hydroxy-1-(5-(4-methylbenzylthio)-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one
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| Structure |
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| Formula |
C29H20FN3O4S2
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| Molecular Weight |
557.628
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| Canonical SMILES |
Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)C3c3ccccc3F)s2)cc1
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| InChI |
InChI=1S/C29H20FN3O4S2/c1-16-10-12-17(13-11-16)15-38-29-32-31-28(39-29)33-24(19-7-3-4-8-20(19)30)23(26(35)27(33)36)25(34)22-14-18-6-2-5-9-21(18)37-22/h2-14,24,35H,15H2,1H3
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| InChIKey |
YYJHFDVMNJONQW-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01109, 11-beta-hydroxysteroid dehydrogenase 1